1-(3-Nitrophenyl)-3-[4-(2-pyridin-2-ylpyridin-4-yl)phenyl]urea | 1360615-17-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-(3-Nitrophenyl)-3-[4-(2-pyridin-2-ylpyridin-4-yl)phenyl]urea
• 英文别名: 1-(3-nitrophenyl)-3-[4-(2-pyridin-2-ylpyridin-4-yl)phenyl]urea
• CAS: 1360615-17-3
• 化学式: C₂₃H₁₇N₅O₃
• 分子量: 411.42
• InChiKey: BWUVNMNNOBVRLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-(4-aminophenyl)-2,2'-bipyridine 、 3-硝基苯异氢酸酯 以 乙腈 为溶剂， 反应 0.67h， 以59%的产率得到1-(3-Nitrophenyl)-3-[4-(2-pyridin-2-ylpyridin-4-yl)phenyl]urea
  参考文献：
  名称：

  Synthesis, structural characterisation and luminescent anion sensing studies of a Ru(II)polypyridyl complex featuring an aryl urea derivatised 2,2′-bpy auxiliary ligand

  摘要：

  The inclusion of a urea functionality into the coordination sphere of a Ru(II)-polypyridyl complex (Ru center dot L-1) resulted in a system that can function as an effective long wavelength emissive fluorescent anion sensor. The MLCT emission of Ru center dot L-1 is sensitive to the binding of acetate, phosphate and pyrophosphate but not fluoride in organic solvent. In addition, Ru center dot L-1 can distinguish between phosphate and pyrophosphate with an emission increase upon binding of H2PO4- ("turn on'' sensor) and an emission decrease upon binding of HP2O73- ("turn off'' sensor), which occurs via hydrogen bonding to the urea receptor moiety as demonstrated by carrying out NMR titrations as well as by employing [Ru(II)bpy(3)](PF6-)(2) as a model compound that lacks the anion receptor moiety. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.10.026

文献信息

• Synthesis, structural characterisation and luminescent anion sensing studies of a Ru(II)polypyridyl complex featuring an aryl urea derivatised 2,2′-bpy auxiliary ligand
  作者：Jonathan A. Kitchen、Elaine M. Boyle、Thorfinnur Gunnlaugsson

  DOI：10.1016/j.ica.2011.10.026

  日期：2012.2

  The inclusion of a urea functionality into the coordination sphere of a Ru(II)-polypyridyl complex (Ru center dot L-1) resulted in a system that can function as an effective long wavelength emissive fluorescent anion sensor. The MLCT emission of Ru center dot L-1 is sensitive to the binding of acetate, phosphate and pyrophosphate but not fluoride in organic solvent. In addition, Ru center dot L-1 can distinguish between phosphate and pyrophosphate with an emission increase upon binding of H2PO4- ("turn on'' sensor) and an emission decrease upon binding of HP2O73- ("turn off'' sensor), which occurs via hydrogen bonding to the urea receptor moiety as demonstrated by carrying out NMR titrations as well as by employing [Ru(II)bpy(3)](PF6-)(2) as a model compound that lacks the anion receptor moiety. (C) 2011 Elsevier B.V. All rights reserved.